N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-methyl-4-nitro-benzamide Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)SCC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4S2/c1-7-5-9(3-4-10(7)18(21)22)12(20)17-14-16-8(2)13(24-14)23-6-11(15)19/h3-5H,6H2,1-2H3,(H2,15,19)(H,16,17,20)